CHEBI:231654 - 4,6-dinitroguaiacol

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 4,6-dinitroguaiacol ChEBI ID CHEBI:231654 Definition A dinitrophenol that is phenol substituted by a methoxy group at position 2 and nitro groups at positions 4 and 6. Stars This entity has been manually annotated by the ChEBI Team. Submitter Jonathan Muyskens Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H6N2O6 Net Charge 0 Average Mass 214.133 Monoisotopic Mass 214.02259 InChI InChI=1S/C7H6N2O6/c1-15-6-3-4(8(11)12)2-5(7(6)10)9(13)14/h2-3,10H,1H3 InChIKey ASODNZCPFZQUKR-UHFFFAOYSA-N SMILES COC1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O ChEBI Ontology Outgoing 4,6-dinitroguaiacol (CHEBI:231654) is a dinitrophenol (CHEBI:39352) 4,6-dinitroguaiacol (CHEBI:231654) is a guaiacols (CHEBI:134251) IUPAC Name 2-methoxy-4,6-dinitrophenol Synonym Source 6-methoxy-2,4-dinitrophenol ChEBI Manual Xref Database 144810 ChemSpider View more database links Registry Number Type Source 4097-63-6 CAS Registry Number ChEBI Citations Types Sources 26162010 PubMed citation Europe PMC 33510260 PubMed citation Europe PMC 8062224 PubMed citation Europe PMC IND21967200 Agricola citation Europe PMC Last Modified 28 June 2024